Chemical Components in the PDB

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3AW : Summary

Code

3AW

One-letter code

X

Molecule name

6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE

Synonyms

ACETOGUANAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-methyl-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits 1.6.1 6-methyl-1,3,5-triazine-2,4-diamine

Formula

C4 H7 N5

Formal charge

0

Molecular weight

125.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(nc(nc1C)N)N
SMILES CACTVS 3.352 Cc1nc(N)nc(N)n1
SMILES OpenEye OEToolkits 1.6.1 Cc1nc(nc(n1)N)N
Canonical SMILES CACTVS 3.352 Cc1nc(N)nc(N)n1
Canonical SMILES OpenEye OEToolkits 1.6.1 Cc1nc(nc(n1)N)N

IUPAC InChI

InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)

IUPAC InChI key

NJYZCEFQAIUHSD-UHFFFAOYSA-N
3AW

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-11-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned